#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9006335
loop_
_publ_author_name
'Leinenweber, K.'
'Linton, J.'
'Navrotsky, A.'
'Fei, Y.'
'Parise, J. B.'
_publ_section_title
;
 High-pressure perovskites on the join CaTiO3-FeTiO3
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              251
_journal_page_last               258
_journal_volume                  22
_journal_year                    1995
_chemical_formula_structural     FeTiO3
_chemical_formula_sum            'Fe O3 Ti'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.12334
_cell_length_b                   5.12334
_cell_length_c                   13.76020
_cell_formula_units_Z            6
_cell_volume                     312.796
_database_code_amcsd             0007917
_exptl_crystal_density_diffrn    4.833
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Fe Ti O3'
_cod_database_code               9006335
_amcsd_formula_title             FeTiO3
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.00000 0.28710
Ti 0.00000 0.00000 0.00000
O 0.04490 0.34460 0.06410
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007917
